5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole

C18H24N2 — CID 131994973

IUPAC5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
SMILESCc1cc(C2CC2)c(CN2CCCCC2)c2cc[nH]c12
InChIInChI=1S/C18H24N2/c1-13-11-16(14-5-6-14)17(15-7-8-19-18(13)15)12-20-9-3-2-4-10-20/h7-8,11,14,19H,2-6,9-10,12H2,1H3
InChIKeyGFJOSTVCEOWYCC-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.34
Rot. Bonds3

About 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole

5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole (PubChem CID 131994973) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
PubChem CID131994973
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
SMILESCc1cc(C2CC2)c(CN2CCCCC2)c2cc[nH]c12
InChIInChI=1S/C18H24N2/c1-13-11-16(14-5-6-14)17(15-7-8-19-18(13)15)12-20-9-3-2-4-10-20/h7-8,11,14,19H,2-6,9-10,12H2,1H3
InChIKeyGFJOSTVCEOWYCC-UHFFFAOYSA-N
XLogP4.34
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole
CID 134382573
5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole
CID 174346951
7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile
CID 170975589
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038
5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole
CID 174346481
[4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanesulfinate
CID 174789964
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
CID 170975574
5-[(2S,4S)-1-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-4-methoxypiperidin-2-yl]pyridine-2-carboxylic acid
CID 121362594
8-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-2-methyl-1-oxa-8-azaspiro[4.5]decane
CID 174346769
4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166460896

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole?
The IUPAC name of 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole (CID 131994973) is 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole?
The canonical SMILES for 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole is Cc1cc(C2CC2)c(CN2CCCCC2)c2cc[nH]c12.
What is the InChIKey of 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole?
The InChIKey is GFJOSTVCEOWYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13-11-16(14-5-6-14)17(15-7-8-19-18(13)15)12-20-9-3-2-4-10-20/h7-8,11,14,19H,2-6,9-10,12H2,1H3.
What are the key properties of 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole?
5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole has a molecular weight of 268.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 131994973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).